[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine

C15H24N2O — CID 55135292

IUPAC[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine
SMILESCCOC1CCCN(c2ccc(CN)cc2C)C1
InChIInChI=1S/C15H24N2O/c1-3-18-14-5-4-8-17(11-14)15-7-6-13(10-16)9-12(15)2/h6-7,9,14H,3-5,8,10-11,16H2,1-2H3
InChIKeyDBUUEDWSKWRBMP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.46
Rot. Bonds4

About [4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine

[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine (PubChem CID 55135292) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine
PubChem CID55135292
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine
SMILESCCOC1CCCN(c2ccc(CN)cc2C)C1
InChIInChI=1S/C15H24N2O/c1-3-18-14-5-4-8-17(11-14)15-7-6-13(10-16)9-12(15)2/h6-7,9,14H,3-5,8,10-11,16H2,1-2H3
InChIKeyDBUUEDWSKWRBMP-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62125093
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
CID 106587897
[3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
CID 113418166
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
[3-bromo-4-(4-ethoxypiperidin-1-yl)phenyl]methanamine
CID 82795170
1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine
CID 55219788
2-(3-ethoxypiperidin-1-yl)-5-methylbenzenecarbothioamide
CID 107928760
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 81143390
2-[2-(3-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 63787234
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 81143389
1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol
CID 130921105
5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide
CID 79900397

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine?
The IUPAC name of [4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine (CID 55135292) is [4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine is CCOC1CCCN(c2ccc(CN)cc2C)C1.
What is the InChIKey of [4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine?
The InChIKey is DBUUEDWSKWRBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-14-5-4-8-17(11-14)15-7-6-13(10-16)9-12(15)2/h6-7,9,14H,3-5,8,10-11,16H2,1-2H3.
What are the key properties of [4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine?
[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine is sourced from PubChem (CID 55135292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).